(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide

C168H224F13N17O12 — CID 167560340

IUPAC(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide
SMILESCCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@@H](CC(C)C)c2cccnc2)N(C)C)c(C)c1.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@@H](c2ccc(C)nc2)C2(C(C)(F)F)CC2)N(C)C)c(C)c1F.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@@H](c2ccccc2F)C2(C(F)(F)F)CC2)N(C)C)c(C)c1.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@H](CC(C)C)c2cccnc2)N(C)C)c(C)c1.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@H](c2ccc(C)nc2)C2(C(C)(F)F)CC2)N(C)C)c(C)c1F.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@H](c2cccnc2)C2(C(C)(F)F)CC2)N(C)C)c(C)c1F
InChIInChI=1S/2C29H38F3N3O2.C28H34F4N2O2.C28H36F3N3O2.2C27H39N3O2/c2*1-7-25(36)23-11-10-20(19(3)27(23)30)14-22(35(5)6)17-34-26(37)15-24(21-9-8-18(2)33-16-21)29(12-13-29)28(4,31)32;1-5-25(35)20-11-10-19(18(2)14-20)15-21(34(3)4)17-33-26(36)16-23(22-8-6-7-9-24(22)29)27(12-13-27)28(30,31)32;1-6-24(35)22-10-9-19(18(2)26(22)29)14-21(34(4)5)17-33-25(36)15-23(20-8-7-13-32-16-20)28(11-12-28)27(3,30)31;2*1-7-26(31)22-11-10-21(20(4)14-22)15-25(30(5)6)18-29-27(32)16-24(13-19(2)3)23-9-8-12-28-17-23/h2*8-11,16,22,24H,7,12-15,17H2,1-6H3,(H,34,37);6-11,14,21,23H,5,12-13,15-17H2,1-4H3,(H,33,36);7-10,13,16,21,23H,6,11-12,14-15,17H2,1-5H3,(H,33,36);2*8-12,14,17,19,24-25H,7,13,15-16,18H2,1-6H3,(H,29,32)/t22-,24+;22-,24-;21-,23-;21-,23+;24-,25+;24-,25-/m000010/s1
InChIKeyDOOPQFCWWGCJLH-CCCCTWKCSA-N
MW2920.72 g/mol
LogP31.99
Rot. Bonds71

About (3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide

(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide (PubChem CID 167560340) has the molecular formula C168H224F13N17O12 and a molecular weight of 2920.72 g/mol. Its IUPAC name is (3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide.

Molecular Properties

Compound Name(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide
PubChem CID167560340
Molecular FormulaC168H224F13N17O12
Molecular Weight2920.72 g/mol
Exact Mass2918.72
IUPAC Name(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide
SMILESCCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@@H](CC(C)C)c2cccnc2)N(C)C)c(C)c1.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@@H](c2ccc(C)nc2)C2(C(C)(F)F)CC2)N(C)C)c(C)c1F.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@@H](c2ccccc2F)C2(C(F)(F)F)CC2)N(C)C)c(C)c1.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@H](CC(C)C)c2cccnc2)N(C)C)c(C)c1.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@H](c2ccc(C)nc2)C2(C(C)(F)F)CC2)N(C)C)c(C)c1F.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@H](c2cccnc2)C2(C(C)(F)F)CC2)N(C)C)c(C)c1F
InChIInChI=1S/2C29H38F3N3O2.C28H34F4N2O2.C28H36F3N3O2.2C27H39N3O2/c2*1-7-25(36)23-11-10-20(19(3)27(23)30)14-22(35(5)6)17-34-26(37)15-24(21-9-8-18(2)33-16-21)29(12-13-29)28(4,31)32;1-5-25(35)20-11-10-19(18(2)14-20)15-21(34(3)4)17-33-26(36)16-23(22-8-6-7-9-24(22)29)27(12-13-27)28(30,31)32;1-6-24(35)22-10-9-19(18(2)26(22)29)14-21(34(4)5)17-33-25(36)15-23(20-8-7-13-32-16-20)28(11-12-28)27(3,30)31;2*1-7-26(31)22-11-10-21(20(4)14-22)15-25(30(5)6)18-29-27(32)16-24(13-19(2)3)23-9-8-12-28-17-23/h2*8-11,16,22,24H,7,12-15,17H2,1-6H3,(H,34,37);6-11,14,21,23H,5,12-13,15-17H2,1-4H3,(H,33,36);7-10,13,16,21,23H,6,11-12,14-15,17H2,1-5H3,(H,33,36);2*8-12,14,17,19,24-25H,7,13,15-16,18H2,1-6H3,(H,29,32)/t22-,24+;22-,24-;21-,23-;21-,23+;24-,25+;24-,25-/m000010/s1
InChIKeyDOOPQFCWWGCJLH-CCCCTWKCSA-N
XLogP31.99
TPSA360.91 Ų
H-Bond Donors6
H-Bond Acceptors23
Rotatable Bonds71
Heavy Atoms210
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002920.72
LogP ≤ 531.99
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1023

Analyze (3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide with MolForge

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Related Compounds

4-((S)-2-(dimethylamino)-3-((R)-3-(6-methylpyridin-3-yl)-3-(1-(trifluoromethyl)cyclopropyl)propanamido)propyl)-2-fluoro-N,3-dimethylbenzamide
CID 165405202
4-((S)-2-(dimethylamino)-3-((R)-3-(6-methylpyridin-3-yl)-3-(1-(trifluoromethyl)cyclopropyl)propanamido)propyl)-2-fluoro-3-methylbenzamide
CID 166025484
2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperidin-1-yl]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide
CID 58495988
6-[(S)-(2-carbamoyl-3-fluorophenyl)-cyclopropylmethyl]-N-[(S)-(3,5-difluorophenyl)-(2-oxocyclopropyl)methyl]-8-fluoro-3-methyl-2-pyridin-3-yl-1H-isoquinoline-4-carboxamide
CID 67072875
(1R,11R)-N-(2-methyl-3-pyridinyl)-13-oxo-1-(2,2,2-trifluoroethyl)tricyclo[9.4.0.02,7]pentadeca-2(7),3,5-triene-5-carboxamide;(1S,11S)-N-(2-methyl-3-pyridinyl)-13-oxo-1-(2,2,2-trifluoroethyl)tricyclo[9.4.0.02,7]pentadeca-2(7),3,5-triene-5-carboxamide
CID 86671218
[(7S)-7-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(2-phenylphenyl)methanone;(5-methyl-2-pyrimidin-2-ylphenyl)-[(7S)-7-[[[6-(trifluoromethyl)-2-pyridinyl]amino]methyl]-6-azaspiro[2.5]octan-6-yl]methanone
CID 87180376
6-N-[1-[[4-fluoro-3-[3-[2-[4-[5-[1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]pyridine-2-carbonyl]piperazin-1-yl]ethyl]phenyl]phenyl]methyl]piperidin-4-yl]-2-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-2,6-dicarboxamide
CID 123332216
[5-Methyl-2-(2-methyl-4-pyridinyl)phenyl]-[3-[2-[6-[4-methyl-2-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidine-1-carbonyl]phenyl]-2-pyridinyl]ethyl]-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 123427541
(2S)-N-[(1S)-2-[4-[6-[(1S)-1-[(1-benzylpyrrolidine-2-carbonyl)amino]-2-(3,5-difluorophenyl)ethyl]-5-(3-carbamoyl-4-fluorophenyl)-3-pyridinyl]-3,5-difluorophenyl]-1-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]ethyl]-4-oxopyrrolidine-2-carboxamide
CID 135215786
N-[4-[2-[[3-(5-acetamido-4-methyl-2-pyridinyl)-5-fluoro-4-methylbenzoyl]amino]cyclopropyl]-2-methylbutan-2-yl]-6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]pyridine-3-carboxamide
CID 135293952
6-[5-[[2-[2-[[6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]pyridine-3-carbonyl]amino]butyl]cyclopropyl]carbamoyl]-3-fluoro-2-methylphenyl]-N-(2-methylpropyl)pyridine-3-carboxamide
CID 135293953
6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-[4-[2-[[3-[5-(2,2-dimethylpropylcarbamoyl)-2-pyridinyl]-5-fluoro-4-methylbenzoyl]amino]cyclopropyl]-3-methylbutyl]pyridine-3-carboxamide
CID 135294009

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide?
The IUPAC name of (3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide (CID 167560340) is (3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide.
What is the SMILES notation for (3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide?
The canonical SMILES for (3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide is CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@@H](CC(C)C)c2cccnc2)N(C)C)c(C)c1.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@@H](c2ccc(C)nc2)C2(C(C)(F)F)CC2)N(C)C)c(C)c1F.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@@H](c2ccccc2F)C2(C(F)(F)F)CC2)N(C)C)c(C)c1.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@H](CC(C)C)c2cccnc2)N(C)C)c(C)c1.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@H](c2ccc(C)nc2)C2(C(C)(F)F)CC2)N(C)C)c(C)c1F.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@H](c2cccnc2)C2(C(C)(F)F)CC2)N(C)C)c(C)c1F.
What is the InChIKey of (3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide?
The InChIKey is DOOPQFCWWGCJLH-CCCCTWKCSA-N. The full InChI is InChI=1S/2C29H38F3N3O2.C28H34F4N2O2.C28H36F3N3O2.2C27H39N3O2/c2*1-7-25(36)23-11-10-20(19(3)27(23)30)14-22(35(5)6)17-34-26(37)15-24(21-9-8-18(2)33-16-21)29(12-13-29)28(4,31)32;1-5-25(35)20-11-10-19(18(2)14-20)15-21(34(3)4)17-33-26(36)16-23(22-8-6-7-9-24(22)29)27(12-13-27)28(30,31)32;1-6-24(35)22-10-9-19(18(2)26(22)29)14-21(34(4)5)17-33-25(36)15-23(20-8-7-13-32-16-20)28(11-12-28)27(3,30)31;2*1-7-26(31)22-11-10-21(20(4)14-22)15-25(30(5)6)18-29-27(32)16-24(13-19(2)3)23-9-8-12-28-17-23/h2*8-11,16,22,24H,7,12-15,17H2,1-6H3,(H,34,37);6-11,14,21,23H,5,12-13,15-17H2,1-4H3,(H,33,36);7-10,13,16,21,23H,6,11-12,14-15,17H2,1-5H3,(H,33,36);2*8-12,14,17,19,24-25H,7,13,15-16,18H2,1-6H3,(H,29,32)/t22-,24+;22-,24-;21-,23-;21-,23+;24-,25+;24-,25-/m000010/s1.
What are the key properties of (3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide?
(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide has a molecular weight of 2920.72 g/mol, XLogP of 31.99, 71 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide is sourced from PubChem (CID 167560340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).